Structure of PDB 5wvu Chain A Binding Site BS01

Receptor Information
>5wvu Chain A (length=510) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTPEAAYQNLLEFQRETAYLASLGALAAWDQRTMIPKKGHEHRARQMAAL
ARLLHQRMTDPRIGEWLEKVEGSPLVQDPLSDAAVNVREWRQAYERARAI
PERLAVELAQAESEAESFWEEARPRDDWRGFLPYLKRVYALTKEKAEVLF
ALPPAPGDPPYGELYDALLDGYEPGMRARELLPLFAELKEGLKGLLDRIL
GSGKRPDTSILHRPYPVEAQRRFALELLSACGYDLEAGRLDPTAHPFEIA
IGPGDVRITTRYYEDFFNAGIFGTLHEMGHALYEQGLPKEHWGTPRGDAV
SLGVHESQSRTWENLVGRSLGFWERFFPRAREVFASLGDVSLEDFHFAVN
AVEPSLIRVEADEVTYNLHILVRLELELALFRGELSPEDLPEAWAEKYRD
HLGVAPKDYKDGVMQDVHWAGGLFGYFPTYTLGNLYAAQFFQKAEAELGP
LEPRFARGEFQPFLDWTRARIHAEGSRFRPRVLVERVTGEAPSARPFLAY
LEKKYAALYG
Ligand information
Ligand IDZN
InChIInChI=1S/Zn/q+2
InChIKeyPTFCDOFLOPIGGS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Zn++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Zn+2]
FormulaZn
NameZINC ION
ChEMBLCHEMBL1236970
DrugBankDB14532
ZINC
PDB chain5wvu Chain A Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB5wvu Insight into the transition between the open and closed conformations of Thermus thermophilus carboxypeptidase.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		H276 H280 E306
Binding residue
(residue number reindexed from 1)		H276 H280 E306
Annotation score1
Enzymatic activity
Enzyme Commision number 3.4.17.19: carboxypeptidase Taq.
Gene Ontology
Molecular Function
GO:0004180 carboxypeptidase activity
GO:0004181 metallocarboxypeptidase activity
GO:0008237 metallopeptidase activity
GO:0008270 zinc ion binding
GO:0046872 metal ion binding
Biological Process
GO:0006508 proteolysis

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5wvu, PDBe:5wvu, PDBj:5wvu
PDBsum5wvu
PubMed28161633
UniProtQ5SLM3|CBP1_THET8 Thermostable carboxypeptidase 1 (Gene Name=TTHA0270)

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